UCSF

ZINC36994898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 4.12 -15.54 2 5 0 63 271.32 6
Lo Low (pH 4.5-6) 1.16 4.52 -42.43 3 5 1 64 272.328 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )